| SpectraBase Spectrum ID |
BpU7HJIm36n |
| Name |
Fumaric acid, dodecyl 2-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-4-6-7-8-9-10-11-12-13-14-18-25-21(23)16-17-22(24)26-19-20(3)15-5-2/h16-17,20H,4-15,18-19H2,1-3H3/b17-16+ |
| InChIKey |
LEPVQGAYSFCDPT-WUKNDPDISA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975561 |
